3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate
TL;DR: 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate (CAS 149848-07-7) is a chemical compound with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate
Also Known As: [3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate|alpha-Phenyl-4-(phenylmethyl)-1-piperazinepropanol benzoate (ester)|3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate|1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, benzoate (ester)|Benzoic acid 3-(4-benzylpiperazin-1-yl)-1-phenylpropyl ester|RefChem:1066774|DTXCID501362432
| Molecular Formula | C27H30N2O2 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 4.7926 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.23074 |
| Heavy Atoms | 31 |
| Complexity | 923.22473 |
Chemical Identifiers
| CAS Number | 149848-07-7 |
|---|---|
| SMILES | C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate (CAS 149848-07-7), with molecular formula C27H30N2O2 and molecular weight 414.23 g/mol. IUPAC: [3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate.
Chemical Property Profile of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate
Property Insights of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate
The XLogP value of 4.7926 indicates that 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate?
The CAS number of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate is 149848-07-7.
What is the molecular formula of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate?
The molecular formula of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate is C27H30N2O2.
What is the molecular weight of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate?
The molecular weight of 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate is 414.23 g/mol.
Where can I buy 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate?
You can request a quote for 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.